3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol

C12H18N2O — CID 82539750

IUPAC3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol
SMILESCN1CCc2cc(NCCCO)ccc21
InChIInChI=1S/C12H18N2O/c1-14-7-5-10-9-11(3-4-12(10)14)13-6-2-8-15/h3-4,9,13,15H,2,5-8H2,1H3
InChIKeyJTUINFWHHVNOLX-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.47
Rot. Bonds4

About 3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol

3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol (PubChem CID 82539750) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol
PubChem CID82539750
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol
SMILESCN1CCc2cc(NCCCO)ccc21
InChIInChI=1S/C12H18N2O/c1-14-7-5-10-9-11(3-4-12(10)14)13-6-2-8-15/h3-4,9,13,15H,2,5-8H2,1H3
InChIKeyJTUINFWHHVNOLX-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol?
The IUPAC name of 3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol (CID 82539750) is 3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol is CN1CCc2cc(NCCCO)ccc21.
What is the InChIKey of 3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol?
The InChIKey is JTUINFWHHVNOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-7-5-10-9-11(3-4-12(10)14)13-6-2-8-15/h3-4,9,13,15H,2,5-8H2,1H3.
What are the key properties of 3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol?
3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol is sourced from PubChem (CID 82539750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).